First principles characterization of direct transitions for high efficiency new photovoltaic materials
作者： C. Tablero , A.J. García , J.J. Fernández , P. Palacios , P. Wahnón
DOI: 10.1016/S0927-0256(02)00425-1
关键词: Direct and indirect band gaps 、 Band gap 、 Condensed matter physics 、 Semiconductor 、 Photovoltaic system 、 Chemistry 、 Solar cell 、 Brillouin zone 、 Atom 、 Optoelectronics 、 Characterization (materials science)
摘要: Some alloys containing a transition metal atom in an III–V host semiconductor show intermediate half filled band the middle of usual gap. The presence this allows to use material high efficiency solar cells due its capability absorbing low energy photons. In current work study optoelectronic properties is presented. We mainly focus obtaining matrix elements that contribute direct transitions. also have analyzed some factors on which process depends. found transitions can be for several points inside Brillouin zone.
elsevier.com
sci-hub.se 参考文章(10)
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple Physical Review Letters. ,vol. 77, pp. 3865- 3868 ,(1996) , 10.1103/PHYSREVLETT.77.3865
Antonio Luque, Antonio Martí, Increasing the Efficiency of Ideal Solar Cells by Photon Induced Transitions at Intermediate Levels Physical Review Letters. ,vol. 78, pp. 5014- 5017 ,(1997) , 10.1103/PHYSREVLETT.78.5014
Pablo Ordejón, Emilio Artacho, José M. Soler, Self-consistent order- N density-functional calculations for very large systems Physical Review B. ,vol. 53, ,(1996) , 10.1103/PHYSREVB.53.R10441
William Shockley, Hans J. Queisser, Detailed Balance Limit of Efficiency of p‐n Junction Solar Cells Journal of Applied Physics. ,vol. 32, pp. 510- 519 ,(1961) , 10.1063/1.1736034
John P. Perdew, Kieron Burke, Matthias Ernzerhof, Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)] Physical Review Letters. ,vol. 78, pp. 1396- 1396 ,(1997) , 10.1103/PHYSREVLETT.78.1396
Daniel S�nchez-Portal, Pablo Ordej�n, Emilio Artacho, Jos� M. Soler, Density‐functional method for very large systems with LCAO basis sets International Journal of Quantum Chemistry. ,vol. 65, pp. 453- 461 ,(1997) , 10.1002/(SICI)1097-461X(1997)65:5<453::AID-QUA9>3.0.CO;2-V
Otto F. Sankey, David J. Niklewski, Ab initio multicenter tight-binding model for molecular-dynamics simulations and other applications in covalent systems Physical Review B. ,vol. 40, pp. 3979- 3995 ,(1989) , 10.1103/PHYSREVB.40.3979
P. Wahnón, C. Tablero, Ab initioelectronic structure calculations for metallic intermediate band formation in photovoltaic materials Physical Review B. ,vol. 65, pp. 165115- ,(2002) , 10.1103/PHYSREVB.65.165115
Antonio Luque, Antonio Martí, A metallic intermediate band high efficiency solar cell Progress in Photovoltaics. ,vol. 9, pp. 73- 86 ,(2001) , 10.1002/PIP.354
E. Artacho, D. S�nchez-Portal, P. Ordej�n, A. Garc�a, J.M. Soler, LINEAR-SCALING AB-INITIO CALCULATIONS FOR LARGE AND COMPLEX SYSTEMS Physica Status Solidi B-basic Solid State Physics. ,vol. 215, pp. 809- 817 ,(1999) , 10.1002/(SICI)1521-3951(199909)215:1<809::AID-PSSB809>3.0.CO;2-0